| Effect of Ammonia and Formic Acid on the OH• + HCl Reaction in the Troposphere: Competition between Single and Double Hydrogen Atom Transfer Pathways S Mallick, S Sarkar, B Bandyopadhyay, P Kumar The Journal of Physical Chemistry A 122 (1), 350-363, 2018 | 56 | 2018 |
| Isomerization of methoxy radical in the troposphere: competition between acidic, neutral and basic catalysts S Sarkar, S Mallick, P Kumar, B Bandyopadhyay Physical Chemistry Chemical Physics 19 (40), 27848-27858, 2017 | 46 | 2017 |
| A comparison of DLPNO-CCSD (T) and CCSD (T) method for the determination of the energetics of hydrogen atom transfer reactions S Mallick, B Roy, P Kumar Computational and Theoretical Chemistry 1187, 112934, 2020 | 36 | 2020 |
| Impact of Post-CCSD(T) Corrections on Reaction Energetics and Rate Constants of the OH• + HCl Reaction S Mallick, P Kumar The Journal of Physical Chemistry A 122 (36), 7151-7159, 2018 | 28 | 2018 |
| Effect of ammonia-water complex on decomposition of carbonic acid in troposphere: A quantum chemical investigation S Mallick, S Sarkar, B Bandyopadhyay, P Kumar Computational and Theoretical Chemistry 1132, 50-58, 2018 | 27 | 2018 |
| Revisiting the reaction energetics of CH3O•+ O2 (3Σ−) reaction: Crucial role of post-CCSD (T) corrections S Mallick, A Kumar, P Kumar Physical Chemistry Chemical Physics, 2019 | 23 | 2019 |
| Effect of ammonia and formic acid on the CH 3 O+ O 2 reaction: a quantum chemical investigation A Kumar, S Mallick, BK Mishra, P Kumar Physical Chemistry Chemical Physics 22 (4), 2405-2413, 2020 | 20 | 2020 |
| Influence of water on the CH 3 O+ O 2→ CH 2 O+ HO 2 reaction S Mallick, A Kumar, BK Mishra, P Kumar Physical Chemistry Chemical Physics 21 (28), 15734-15741, 2019 | 20 | 2019 |
| Ammonolysis of ketene as a potential source of acetamide in troposphere: A quantum chemical investigation S Sarkar, S Mallick, P Kumar, B Bandyopadhyay Physical Chemistry Chemical Physics, 2018 | 20 | 2018 |
| OH• + HCl Reaction at the Surface of a Water Droplet: An Ab Initio Molecular Dynamical Study S Mallick, P Kumar The Journal of Physical Chemistry B 124 (12), 2465-2472, 2020 | 17 | 2020 |
| Effect of water on the oxidation of CO by a Criegee intermediate A Kumar, S Mallick, P Kumar Physical Chemistry Chemical Physics 22 (37), 21257-21266, 2020 | 12 | 2020 |
| Kinetic instability of sulfurous acid in the presence of ammonia and formic acid S Mallick, A Kumar, P Kumar Physical Chemistry Chemical Physics 22 (33), 18646-18654, 2020 | 11 | 2020 |
| Switching of the reaction enthalpy from exothermic to endothermic for decomposition of H 2 CO 3 under confinement S Mallick, P Kumar Physical Chemistry Chemical Physics 21 (37), 20849-20856, 2019 | 11 | 2019 |
| Oxidation of HOSO by NH2: A new path for the formation of an acid rain precursor S Mallick, A Kumar, P Kumar Chemical Physics Letters 773, 138536, 2021 | 10 | 2021 |
| The reaction of N2O with the Criegee intermediate: A theoretical study S Mallick, P Kumar Computational and Theoretical Chemistry 1191, 113023, 2020 | 9 | 2020 |
| Oxidation of HOSO˙ by Cl˙: a new source of SO 2 in the atmosphere? A Kumar, S Mallick, P Kumar Physical Chemistry Chemical Physics 23 (34), 18707-18711, 2021 | 7 | 2021 |
| External electric field to control the Diels–Alder reactions of endohedral fullerene P Yadav, PK Rai, S Mallick, P Kumar Physical Chemistry Chemical Physics 24 (18), 11131-11136, 2022 | 5 | 2022 |
| Effect of confinement on ammonia inversion S Mallick, BK Mishra, P Kumar, N Sathyamurthy The European Physical Journal D 75 (3), 113, 2021 | 5 | 2021 |
| Computational evidence for sulfur atom tunneling in the ring flipping reaction of S4N4 S Mallick, P Kumar Chemical Physics Letters 749, 137440, 2020 | 3 | 2020 |
| Nitrous acid (HONO) as a sink of the simplest Criegee intermediate in the atmosphere A Kumar, S Mallick, P Kumar Physical Chemistry Chemical Physics 24 (12), 7458-7465, 2022 | 2 | 2022 |
Pradeep KumarMNIT JaipurVerified email at mnit.ac.in
